Basic information
- CAS
70825-74-0- Standard SMILES
CN1CCN(CCN=C=S)CC1- InChIKey
QJSGVQKZKZYQQL-UHFFFAOYSA-N- Molecular formula
- C8H15N3S
- Average molar mass
- 185.29 g/mol
- Monoisotopic mass
- 185.09866866
Names & identifiers
- Preferred name
- 1-(2-Isothiocyanatoethyl)-4-methylpiperazine
- IUPAC
- 1-(2-isothiocyanatoethyl)-4-methylpiperazine
- English name
- Piperazine, 1-(2-isothiocyanatoethyl)-4-methyl- (9CI)
- Molecular formula
- C8H15N3S
- Molecular weight
- 185.29
Names & synonyms
70825-74-01-(2-ISOTHIOCYANATOETHYL)-4-METHYLPIPERAZINESCHEMBL15269270DTXSID30602556AKOS000343271DB-277607PIPERAZINE, 1-(2-ISOTHIOCYANATOETHYL)-4-METHYL-Piperazine, 1-(2-isothiocyanatoethyl)-4-methyl- (9CI)
Database identifiers
- CAS
70825-74-0- PubChem CID
- 20109730
- DTXSID
DTXSID30602556
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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